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Computational Diagnostics for Detecting Phase Transitions During Nanoindentation

Published online by Cambridge University Press:  01 January 1992

Susanne M. Lee
Affiliation:
Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, California 94551.
Carol G. Hoover
Affiliation:
Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, California 94551.
Jeffrey S. Kallman
Affiliation:
Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, California 94551.
William G. Hoover
Affiliation:
Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, California 94551. Department of Applied Science, UC Davis/Livermore, Livermore, California 94551.
Anthony J. De Groot
Affiliation:
Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, California 94551.
Frederick Wooten
Affiliation:
Department of Applied Science, UC Davis/Livermore, Livermore, California 94551.
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Abstract

We study nanoindentation of silicon using nonequilibrium molecular dynamics simulations with up to a million particles. Both crystalline and amorphous silicon samples are considered. We use computational diffraction patterns as a diagnostic tool for detecting phase transitions resulting from structural changes. Simulations of crystalline samples show a transition to the amorphous phase in a region a few atomic layers thick surrounding the lateral faces of the indentor, as has been suggested by experimental results. Our simulation results provide estimates for the yield strength (nanohardness) of silicon for a range of temperatures.

Type
Research Article
Copyright
Copyright © Materials Research Society 1993

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References

1. Hoover, W. G., Computational Statistical Mechanics (Elsevier, Amsterdam, 1991), p. 255.Google Scholar
2. Holian, B. L., De Groot, A. J., Hoover, W. G., and Hoover, C. G., Phys. Rev. A, 41, 4552 (1990).CrossRefGoogle Scholar
3. Hoover, W. G., De Groot, A. J., and Hoover, C. G., Comp. in Phys., 6, 155 (1992).CrossRefGoogle Scholar
4. Stillinger, F. H. and Weber, T. A., Phys. Rev. B, 31, 5262, (1985).CrossRefGoogle Scholar
5. Wooten, F. and Weaire, D., Solid State Physics 40, 1 (1987).CrossRefGoogle Scholar
6. Clarke, D. R., Kroll, M. C., Kirchner, P. D., Cook, R. F., and Hockney, B. J., Phys. Rev. Letts. 60, 2156 (1988).CrossRefGoogle Scholar
7. Minowa, K. and Sumino, K., Phys. Rev. Letts. 69, 320 (1992).CrossRefGoogle Scholar

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